SCHEMBL13152876

SCHEMBL13152876

CC(c1ccc(C(=O)O)c(C(=O)Nc2ccc(C(c3ccc(NC(=O)c4cc(C(c5ccc6c(c5)C(=O)OC6=O)(C(F)(F)F)C(F)(F)F)ccc4C(=O)O)cc3)(C(F)(F)F)C(F)(F)F)cc2)c1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 6/20 0.41
▸ CA12 O43570 5/20 0.38
▸ CA7 P43166 5/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ GPR27 Q9NS67 3/20 0.36
▸ AVPR2 P30518 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13152875 0.90 CA12 (0.49) SORT1CA12CA7CA1CA4
SCHEMBL15887766 0.83 CA12 (0.41) SORT1CA12CA7CA1CA4
SCHEMBL9505714 0.82 TYMS (0.42) SORT1CA12CA7CA1CA4
SCHEMBL15887767 0.78 MAPK1 (0.48) SORT1CA12CA7CA1CA4
SCHEMBL25955781 0.77 CA12 (0.44) SORT1CA12CA7CA1CA4
SCHEMBL25955780 0.76 CA12 (0.41) SORT1CA12CA7CA1CA4
SCHEMBL24788969 0.75 TYMS (0.39) SORT1CA12CA7CA1CA4
SCHEMBL15431055 0.74 CA12 (0.49) CA12CA7CA1CA4CA2
SCHEMBL25955785 0.73 CA12 (0.42) CA12CA7CA1CA4CA2
SCHEMBL14412566 0.73 CA12 (0.38) CA12CA7CA1CA4CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803896-B2 Polyimide-titania hybrid materials, their preparation, and film prepared from the materials NATIONAL TAIWAN UNIVERSITY (TW) 2010-09-28 — — US disclosed
US-20090092759-A1 Polyimide-titania hybrid materials, their preparation, and film prepared from the materials NATIONAL TAIWAN UNIVERSITY (TW) 2009-04-09 — — US disclosed
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